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Non-empirical calculations of rotovibrational band wings: Carbon dioxide – rare gas mixtures. / Oparin, Daniil V.; Filippov, Nikolai N.; Grigoriev, Ivan M.; Kouzov, Alexander P.

In: Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 247, 106950, 05.2020.

Research output: Contribution to journal › Article › peer-review

Harvard

Oparin, DV, Filippov, NN, Grigoriev, IM & Kouzov, AP 2020, 'Non-empirical calculations of rotovibrational band wings: Carbon dioxide – rare gas mixtures', Journal of Quantitative Spectroscopy and Radiative Transfer, vol. 247, 106950. https://doi.org/10.1016/j.jqsrt.2020.106950

APA

Oparin, D. V., Filippov, N. N., Grigoriev, I. M., & Kouzov, A. P. (2020). Non-empirical calculations of rotovibrational band wings: Carbon dioxide – rare gas mixtures. Journal of Quantitative Spectroscopy and Radiative Transfer, 247, [106950]. https://doi.org/10.1016/j.jqsrt.2020.106950

Vancouver

Oparin DV, Filippov NN, Grigoriev IM, Kouzov AP. Non-empirical calculations of rotovibrational band wings: Carbon dioxide – rare gas mixtures. Journal of Quantitative Spectroscopy and Radiative Transfer. 2020 May;247. 106950. https://doi.org/10.1016/j.jqsrt.2020.106950

Author

Oparin, Daniil V. ; Filippov, Nikolai N. ; Grigoriev, Ivan M. ; Kouzov, Alexander P. / Non-empirical calculations of rotovibrational band wings: Carbon dioxide – rare gas mixtures. In: Journal of Quantitative Spectroscopy and Radiative Transfer. 2020 ; Vol. 247.

BibTeX

@article{b6b4c5d2359548eebca67a66645aa22a,
title = "Non-empirical calculations of rotovibrational band wings: Carbon dioxide – rare gas mixtures",
abstract = "We consider spectral characteristics of rotational perturbation for CO2-Rg collisions (Rg = Ar, Xe) using molecular torques time correlation function and three-dimensional classical trajectories without several conventionally used simplifications. The results are applied to the band wing calculation. The calculated wing profiles depend on the potential energy surface and agree well with the experimental data. The relative contributions of collision-induced absorption and the role of dimer absorption are discussed.",
keywords = "Band wings, Carbon dioxide, Rare gas, Molecular torques, Classical trajectory, Collision-induced absorption, COLLISION-INDUCED ABSORPTION, CO2, LIGHT-SCATTERING, LINEAR-MOLECULES, SHAPE, IR-BAND, IMPACT THEORY, FAR WINGS, ROTATIONAL RELAXATION, SPECTRA",
author = "Oparin, {Daniil V.} and Filippov, {Nikolai N.} and Grigoriev, {Ivan M.} and Kouzov, {Alexander P.}",
note = "Funding Information: This work was supported by RFBR (grant no. 19-03-00830A).",
year = "2020",
month = may,
doi = "10.1016/j.jqsrt.2020.106950",
language = "English",
volume = "247",
journal = "Journal of Quantitative Spectroscopy and Radiative Transfer",
issn = "0022-4073",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Non-empirical calculations of rotovibrational band wings: Carbon dioxide – rare gas mixtures

AU - Oparin, Daniil V.

AU - Filippov, Nikolai N.

AU - Grigoriev, Ivan M.

AU - Kouzov, Alexander P.

N1 - Funding Information: This work was supported by RFBR (grant no. 19-03-00830A).

PY - 2020/5

Y1 - 2020/5

N2 - We consider spectral characteristics of rotational perturbation for CO2-Rg collisions (Rg = Ar, Xe) using molecular torques time correlation function and three-dimensional classical trajectories without several conventionally used simplifications. The results are applied to the band wing calculation. The calculated wing profiles depend on the potential energy surface and agree well with the experimental data. The relative contributions of collision-induced absorption and the role of dimer absorption are discussed.

AB - We consider spectral characteristics of rotational perturbation for CO2-Rg collisions (Rg = Ar, Xe) using molecular torques time correlation function and three-dimensional classical trajectories without several conventionally used simplifications. The results are applied to the band wing calculation. The calculated wing profiles depend on the potential energy surface and agree well with the experimental data. The relative contributions of collision-induced absorption and the role of dimer absorption are discussed.

KW - Band wings

KW - Carbon dioxide

KW - Rare gas

KW - Molecular torques

KW - Classical trajectory

KW - Collision-induced absorption

KW - COLLISION-INDUCED ABSORPTION

KW - CO2

KW - LIGHT-SCATTERING

KW - LINEAR-MOLECULES

KW - SHAPE

KW - IR-BAND

KW - IMPACT THEORY

KW - FAR WINGS

KW - ROTATIONAL RELAXATION

KW - SPECTRA

UR - http://www.scopus.com/inward/record.url?scp=85081664642&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/62201fdf-af5a-3e39-9331-859bece72c57/

U2 - 10.1016/j.jqsrt.2020.106950

DO - 10.1016/j.jqsrt.2020.106950

M3 - Article

VL - 247

JO - Journal of Quantitative Spectroscopy and Radiative Transfer

JF - Journal of Quantitative Spectroscopy and Radiative Transfer

SN - 0022-4073

M1 - 106950

ER -

ID: 52086215